7-[4-(2-azanylethyl)-3-phenyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-azanylethyl)-3-phenyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-aminoethyl)-3-phenyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-aminoethyl)-3-phenyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-aminoethyl)-3-phenyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)CCN)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)CCN)F)C(=O)O

InChI

InChI=1S/C25H27FN4O3/c26-20-12-18-21(30(17-6-7-17)14-19(24(18)31)25(32)33)13-22(20)29-11-10-28(9-8-27)23(15-29)16-4-2-1-3-5-16/h1-5,12-14,17,23H,6-11,15,27H2,(H,32,33)